| SpectraBase Spectrum ID |
4BAIMu8DXag |
| Name |
Chloramphenicol-A (-H2O) TFA |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
399.984061282 u |
| Formula |
C13H9Cl2F3N2O5 |
| InChI |
InChI=1S/C13H9Cl2F3N2O5/c1-6(19-11(21)10(14)15)9(25-12(22)13(16,17)18)7-2-4-8(5-3-7)20(23)24/h2-5,9-10H,1H2,(H,19,21)/t9-/m0/s1 |
| InChIKey |
WPNJUTCGJQITFZ-VIFPVBQESA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
401.125 g/mol |
| Nominal Mass |
400 u |
| Reagent Gas |
Methane |
| Retention Index |
2896 |
| SMILES |
[C@@](C(NC(C(Cl)Cl)=O)=C)(C=1C=CC(=CC1)[N+](=O)[O-])(OC(C(F)(F)F)=O)[H] |
| SPLASH |
splash10-0udi-1580900000-198351dea90986acd8f6 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R)-2-(2,2-dichloroacetamido)-1-(4-nitrophenyl)prop-2-en-1-yl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000506 |
